Details of the Target

General Information of Target

Target ID LDTP05028
Target Name Peptidyl-prolyl cis-trans isomerase A (PPIA)
Gene Name PPIA
Gene ID 5478
Synonyms
CYPA; Peptidyl-prolyl cis-trans isomerase A; PPIase A; EC 5.2.1.8; Cyclophilin A; Cyclosporin A-binding protein; Rotamase A) [Cleaved into: Peptidyl-prolyl cis-trans isomerase A, N-terminally processed]
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGF
MCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTE
WLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Target Type
Successful
Target Bioclass
Enzyme
Family
Cyclophilin-type PPIase family, PPIase A subfamily
Subcellular location
Cytoplasm
Function
Catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides. Exerts a strong chemotactic effect on leukocytes partly through activation of one of its membrane receptors BSG/CD147, initiating a signaling cascade that culminates in MAPK/ERK activation. Activates endothelial cells (ECs) in a pro-inflammatory manner by stimulating activation of NF-kappa-B and ERK, JNK and p38 MAP-kinases and by inducing expression of adhesion molecules including SELE and VCAM1. Induces apoptosis in ECs by promoting the FOXO1-dependent expression of CCL2 and BCL2L11 which are involved in EC chemotaxis and apoptosis. In response to oxidative stress, initiates proapoptotic and antiapoptotic signaling in ECs via activation of NF-kappa-B and AKT1 and up-regulation of antiapoptotic protein BCL2. Negatively regulates MAP3K5/ASK1 kinase activity, autophosphorylation and oxidative stress-induced apoptosis mediated by MAP3K5/ASK1. Necessary for the assembly of TARDBP in heterogeneous nuclear ribonucleoprotein (hnRNP) complexes and regulates TARDBP binding to RNA UG repeats and TARDBP-dependent expression of HDAC6, ATG7 and VCP which are involved in clearance of protein aggregates. Plays an important role in platelet activation and aggregation. Regulates calcium mobilization and integrin ITGA2B:ITGB3 bidirectional signaling via increased ROS production as well as by facilitating the interaction between integrin and the cell cytoskeleton. Binds heparan sulfate glycosaminoglycans. Inhibits replication of influenza A virus (IAV). Inhibits ITCH/AIP4-mediated ubiquitination of matrix protein 1 (M1) of IAV by impairing the interaction of ITCH/AIP4 with M1, followed by the suppression of the nuclear export of M1, and finally reduction of the replication of IAV.; (Microbial infection) May act as a mediator between human SARS coronavirus nucleoprotein and BSG/CD147 in the process of invasion of host cells by the virus.; (Microbial infection) Stimulates RNA-binding ability of HCV NS5A in a peptidyl-prolyl cis-trans isomerase activity-dependent manner.
TTD ID
T47081
Uniprot ID
P62937
DrugMap ID
TTS41ER
Ensemble ID
ENST00000355968.10
HGNC ID
HGNC:9253
ChEMBL ID
CHEMBL1949

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
SW756 SNV: p.E134Q .

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 61 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
m-APA
 Probe Info  		15.00  LDD0402  [1]
P8
 Probe Info  		1.51  LDD0455  [2]
A-EBA
 Probe Info  		4.30  LDD0215  [3]
CY-1
 Probe Info  		14.79  LDD0243  [4]
CY4
 Probe Info  		4.30  LDD0244  [4]
N1
 Probe Info  		3.96  LDD0242  [4]
TH211
 Probe Info  		Y48(15.15); Y79(9.11)  LDD0257  [5]
TH214
 Probe Info  		Y79(14.60); Y48(14.43)  LDD0258  [5]
TH216
 Probe Info  		Y79(13.79); Y48(12.75)  LDD0259  [5]
YN-1
 Probe Info  		2.74  LDD0444  [6]
YN-4
 Probe Info  		100.00  LDD0445  [6]
BTD
 Probe Info  		C52(1.83); C62(3.38)  LDD1699  [7]
AZ-9
 Probe Info  		E140(1.01); E165(0.97); E84(1.02); D160(1.06)  LDD2208  [8]
ONAyne
 Probe Info  		K44(0.00); K125(0.00); K31(0.00); K155(0.00)  LDD0273  [9]
OPA-S-S-alkyne
 Probe Info  		K133(2.46); K155(2.47); K49(3.03); K31(3.16)  LDD3494  [10]
JZ128-DTB
 Probe Info  		N.A.  LDD0462  [11]
THZ1-DTB
 Probe Info  		C62(1.05); C161(1.02)  LDD0460  [11]
DA-P3
 Probe Info  		4.01  LDD0183  [12]
AHL-Pu-1
 Probe Info  		C52(3.10)  LDD0168  [13]
HHS-482
 Probe Info  		Y48(1.18); Y79(1.07)  LDD0285  [14]
HHS-475
 Probe Info  		Y48(0.87); Y79(0.91)  LDD0264  [15]
HHS-465
 Probe Info  		Y79(10.00)  LDD2237  [16]
DBIA
 Probe Info  		C161(1.07); C115(1.02); C62(0.94)  LDD0078  [17]
5E-2FA
 Probe Info  		H92(0.00); H70(0.00); H126(0.00)  LDD2235  [18]
AMP probe
 Probe Info  		K82(0.00); K125(0.00); K155(0.00); K44(0.00)  LDD0200  [19]
ATP probe
 Probe Info  		K82(0.00); K125(0.00); K155(0.00); K44(0.00)  LDD0199  [19]
4-Iodoacetamidophenylacetylene
 Probe Info  		C115(0.00); C62(0.00); C161(0.00)  LDD0038  [20]
IA-alkyne
 Probe Info  		C62(0.00); C115(0.00); C161(0.00)  LDD0032  [21]
IPIAA_H
 Probe Info  		C161(0.00); C52(0.00); C62(0.00); C115(0.00)  LDD0030  [22]
IPIAA_L
 Probe Info  		C52(0.00); C115(0.00); C62(0.00); C161(0.00)  LDD0031  [22]
Lodoacetamide azide
 Probe Info  		C115(0.00); C62(0.00); C161(0.00)  LDD0037  [20]
Alkyne tyramide
 Probe Info  		N.A.  LDD0003  [23]
ATP probe
 Probe Info  		K125(0.00); K82(0.00); K49(0.00); K31(0.00)  LDD0035  [24]
JW-RF-010
 Probe Info  		C62(0.00); C115(0.00); C52(0.00); C161(0.00)  LDD0026  [25]
NAIA_4
 Probe Info  		N.A.  LDD2226  [26]
TFBX
 Probe Info  		C161(0.00); C62(0.00); C115(0.00)  LDD0027  [25]
WYneN
 Probe Info  		N.A.  LDD0021  [23]
WYneO
 Probe Info  		C161(0.00); C62(0.00)  LDD0022  [23]
1d-yne
 Probe Info  		K91(0.00); K82(0.00); K76(0.00); K131(0.00)  LDD0356  [27]
Compound 10
 Probe Info  		C115(0.00); C52(0.00); C62(0.00)  LDD2216  [28]
Compound 11
 Probe Info  		C115(0.00); C62(0.00)  LDD2213  [28]
ENE
 Probe Info  		N.A.  LDD0006  [23]
IPM
 Probe Info  		N.A.  LDD0005  [23]
NHS
 Probe Info  		K82(0.00); K44(0.00); K133(0.00); K125(0.00)  LDD0010  [23]
OSF
 Probe Info  		N.A.  LDD0029  [29]
PF-06672131
 Probe Info  		N.A.  LDD0017  [30]
SF
 Probe Info  		K28(0.00); K31(0.00); K82(0.00); K49(0.00)  LDD0028  [29]
STPyne
 Probe Info  		K76(0.00); K125(0.00); K82(0.00); K44(0.00)  LDD0009  [23]
Phosphinate-6
 Probe Info  		C62(0.00); C52(0.00)  LDD0018  [31]
Ox-W18
 Probe Info  		N.A.  LDD2175  [32]
1c-yne
 Probe Info  		K76(0.00); K133(0.00); K91(0.00); K118(0.00)  LDD0228  [27]
Acrolein
 Probe Info  		C115(0.00); C161(0.00)  LDD0217  [33]
Cinnamaldehyde
 Probe Info  		N.A.  LDD0220  [33]
Crotonaldehyde
 Probe Info  		N.A.  LDD0219  [33]
Methacrolein
 Probe Info  		C161(0.00); C115(0.00)  LDD0218  [33]
W1
 Probe Info  		C62(0.00); C115(0.00); C161(0.00)  LDD0236  [34]
AOyne
 Probe Info  		11.90  LDD0443  [35]
MPP-AC
 Probe Info  		N.A.  LDD0428  [36]
NAIA_5
 Probe Info  		C52(0.00); C115(0.00); C62(0.00); C161(0.00)  LDD2223  [26]
TER-AC
 Probe Info  		N.A.  LDD0426  [36]
TPP-AC
 Probe Info  		N.A.  LDD0427  [36]
PAL-AfBPP Probe
Click To Hide/Show 3 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
STS-2
 Probe Info  		N.A.  LDD0138  [37]
Diazir
 Probe Info  		N.A.  LDD0011  [23]
STS-1
 Probe Info  		N.A.  LDD0069  [38]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C62(0.40); C52(0.53)  LDD2142  [7]
 LDCM0519  1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one MDA-MB-231 C161(0.33); C62(0.68); C52(0.63)  LDD2112  [7]
 LDCM0502  1-(Cyanoacetyl)piperidine MDA-MB-231 C115(0.64); C161(0.57); C62(0.50); C52(0.42)  LDD2095  [7]
 LDCM0537  2-Cyano-N,N-dimethylacetamide MDA-MB-231 C115(1.00); C161(0.90); C62(0.90); C52(0.91)  LDD2130  [7]
 LDCM0524  2-Cyano-N-(2-morpholin-4-yl-ethyl)-acetamide MDA-MB-231 C115(1.21); C161(1.09); C62(1.06); C52(1.24)  LDD2117  [7]
 LDCM0558  2-Cyano-N-phenylacetamide MDA-MB-231 C161(1.14); C62(1.20); C52(1.29)  LDD2152  [7]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C62(1.20); C52(1.16)  LDD2103  [7]
 LDCM0539  3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile MDA-MB-231 C115(0.38); C161(0.96); C62(0.33); C52(0.39)  LDD2132  [7]
 LDCM0538  4-(Cyanoacetyl)morpholine MDA-MB-231 C161(0.77); C62(0.74); C52(0.87)  LDD2131  [7]
 LDCM0025  4SU-RNA HEK-293T C52(3.10)  LDD0168  [13]
 LDCM0026  4SU-RNA+native RNA HEK-293T C52(3.02)  LDD0169  [13]
 LDCM0214  AC1 HCT 116 C161(1.21); C62(1.34); C115(0.89)  LDD0531  [17]
 LDCM0215  AC10 HCT 116 C161(1.13); C62(0.94); C115(0.87)  LDD0532  [17]
 LDCM0216  AC100 HCT 116 C161(1.00); C62(0.96); C115(1.02)  LDD0533  [17]
 LDCM0217  AC101 HCT 116 C161(1.02); C62(1.24); C115(1.15)  LDD0534  [17]
 LDCM0218  AC102 HCT 116 C161(1.02); C62(1.08); C115(1.10)  LDD0535  [17]
 LDCM0219  AC103 HCT 116 C161(0.88); C62(0.86); C115(0.92)  LDD0536  [17]
 LDCM0220  AC104 HCT 116 C161(0.90); C62(1.05); C115(1.07)  LDD0537  [17]
 LDCM0221  AC105 HCT 116 C161(0.91); C62(0.93); C115(0.90)  LDD0538  [17]
 LDCM0222  AC106 HCT 116 C161(0.91); C62(0.93); C115(0.88)  LDD0539  [17]
 LDCM0223  AC107 HCT 116 C161(0.71); C62(0.90); C115(0.71)  LDD0540  [17]
 LDCM0224  AC108 HCT 116 C161(0.54); C62(0.85); C115(0.83)  LDD0541  [17]
 LDCM0225  AC109 HCT 116 C161(0.53); C62(0.75); C115(0.81)  LDD0542  [17]
 LDCM0226  AC11 HCT 116 C161(1.03); C62(0.91); C115(0.84)  LDD0543  [17]
 LDCM0227  AC110 HCT 116 C161(0.59); C62(0.74); C115(0.84)  LDD0544  [17]
 LDCM0228  AC111 HCT 116 C161(0.38); C62(0.63); C115(0.80)  LDD0545  [17]
 LDCM0229  AC112 HCT 116 C161(0.65); C62(0.76); C115(0.87)  LDD0546  [17]
 LDCM0230  AC113 HCT 116 C161(2.64); C62(1.44); C115(0.80)  LDD0547  [17]
 LDCM0231  AC114 HCT 116 C161(3.36); C62(2.19); C115(0.86)  LDD0548  [17]
 LDCM0232  AC115 HCT 116 C161(2.38); C62(1.61); C115(0.69)  LDD0549  [17]
 LDCM0233  AC116 HCT 116 C161(2.55); C62(1.62); C115(0.65)  LDD0550  [17]
 LDCM0234  AC117 HCT 116 C161(2.61); C62(2.04); C115(0.82)  LDD0551  [17]
 LDCM0235  AC118 HCT 116 C161(2.65); C62(2.13); C115(0.76)  LDD0552  [17]
 LDCM0236  AC119 HCT 116 C161(2.89); C62(2.06); C115(0.76)  LDD0553  [17]
 LDCM0237  AC12 HCT 116 C161(1.20); C62(1.11); C115(1.02)  LDD0554  [17]
 LDCM0238  AC120 HCT 116 C161(4.49); C62(2.48); C115(0.90)  LDD0555  [17]
 LDCM0239  AC121 HCT 116 C161(2.07); C62(1.59); C115(0.71)  LDD0556  [17]
 LDCM0240  AC122 HCT 116 C161(2.39); C62(1.86); C115(0.28)  LDD0557  [17]
 LDCM0241  AC123 HCT 116 C161(2.80); C62(2.11); C115(0.83)  LDD0558  [17]
 LDCM0242  AC124 HCT 116 C161(2.87); C62(2.19); C115(1.01)  LDD0559  [17]
 LDCM0243  AC125 HCT 116 C161(2.52); C62(1.78); C115(0.81)  LDD0560  [17]
 LDCM0244  AC126 HCT 116 C161(1.14); C62(1.01); C115(0.67)  LDD0561  [17]
 LDCM0245  AC127 HCT 116 C161(2.29); C62(2.08); C115(0.71)  LDD0562  [17]
 LDCM0246  AC128 HCT 116 C161(0.33); C62(0.43); C115(0.61)  LDD0563  [17]
 LDCM0247  AC129 HCT 116 C161(1.33); C62(1.11); C115(1.15)  LDD0564  [17]
 LDCM0249  AC130 HCT 116 C161(0.86); C62(0.74); C115(0.89)  LDD0566  [17]
 LDCM0250  AC131 HCT 116 C161(1.45); C62(1.22); C115(1.54)  LDD0567  [17]
 LDCM0251  AC132 HCT 116 C161(1.49); C62(1.09); C115(0.96)  LDD0568  [17]
 LDCM0252  AC133 HCT 116 C161(0.95); C62(0.84); C115(0.93)  LDD0569  [17]
 LDCM0253  AC134 HCT 116 C161(0.76); C62(0.61); C115(0.77)  LDD0570  [17]
 LDCM0254  AC135 HCT 116 C161(0.69); C62(0.62); C115(0.68)  LDD0571  [17]
 LDCM0255  AC136 HCT 116 C161(0.94); C62(0.85); C115(0.89)  LDD0572  [17]
 LDCM0256  AC137 HCT 116 C161(1.22); C62(1.13); C115(1.04)  LDD0573  [17]
 LDCM0257  AC138 HCT 116 C161(0.85); C62(0.77); C115(1.04)  LDD0574  [17]
 LDCM0258  AC139 HCT 116 C161(1.07); C62(0.91); C115(0.97)  LDD0575  [17]
 LDCM0259  AC14 HCT 116 C161(1.61); C62(1.10); C115(1.05)  LDD0576  [17]
 LDCM0260  AC140 HCT 116 C161(0.84); C62(0.67); C115(0.85)  LDD0577  [17]
 LDCM0261  AC141 HCT 116 C161(0.99); C62(0.71); C115(0.88)  LDD0578  [17]
 LDCM0262  AC142 HCT 116 C161(1.33); C62(1.12); C115(1.03)  LDD0579  [17]
 LDCM0263  AC143 HCT 116 C161(1.32); C62(1.04); C115(1.15)  LDD0580  [17]
 LDCM0264  AC144 HCT 116 C161(0.61); C62(0.96); C115(1.59)  LDD0581  [17]
 LDCM0265  AC145 HCT 116 C62(0.97); C115(1.24); C161(1.38)  LDD0582  [17]
 LDCM0266  AC146 HCT 116 C62(1.23); C161(1.39); C115(3.78)  LDD0583  [17]
 LDCM0267  AC147 HCT 116 C161(0.50); C62(0.71); C115(1.03)  LDD0584  [17]
 LDCM0268  AC148 HCT 116 C161(0.05); C62(0.44); C115(0.58)  LDD0585  [17]
 LDCM0269  AC149 HCT 116 C161(0.39); C62(0.78); C115(0.99)  LDD0586  [17]
 LDCM0270  AC15 HCT 116 C115(1.07); C62(1.08); C161(1.37)  LDD0587  [17]
 LDCM0271  AC150 HCT 116 C115(2.28); C62(2.85); C161(20.00)  LDD0588  [17]
 LDCM0272  AC151 HCT 116 C161(0.92); C62(1.74); C115(2.56)  LDD0589  [17]
 LDCM0273  AC152 HCT 116 C161(0.33); C62(0.65); C115(0.81)  LDD0590  [17]
 LDCM0274  AC153 HCT 116 C161(0.04); C62(0.40); C115(0.59)  LDD0591  [17]
 LDCM0621  AC154 HCT 116 C161(0.51); C62(0.71); C115(1.17)  LDD2158  [17]
 LDCM0622  AC155 HCT 116 C161(10.00); C62(1.32); C115(1.85)  LDD2159  [17]
 LDCM0623  AC156 HCT 116 C161(1.25); C62(1.15); C115(1.25)  LDD2160  [17]
 LDCM0624  AC157 HCT 116 C161(1.13); C62(1.14); C115(1.31)  LDD2161  [17]
 LDCM0276  AC17 HCT 116 C62(1.02); C115(1.14)  LDD0593  [17]
 LDCM0277  AC18 HCT 116 C62(0.77); C115(0.97)  LDD0594  [17]
 LDCM0278  AC19 HCT 116 C62(0.90); C115(1.18)  LDD0595  [17]
 LDCM0279  AC2 HCT 116 C115(0.80); C161(1.02); C62(1.13)  LDD0596  [17]
 LDCM0280  AC20 HCT 116 C62(0.89); C115(1.13)  LDD0597  [17]
 LDCM0281  AC21 HCT 116 C62(0.90); C115(1.03)  LDD0598  [17]
 LDCM0282  AC22 HCT 116 C115(0.94); C62(1.03)  LDD0599  [17]
 LDCM0283  AC23 HCT 116 C62(0.79); C115(0.91)  LDD0600  [17]
 LDCM0284  AC24 HCT 116 C62(0.87); C115(1.18)  LDD0601  [17]
 LDCM0285  AC25 HCT 116 C62(1.12); C115(1.20)  LDD0602  [17]
 LDCM0286  AC26 HCT 116 C115(1.03); C62(1.05)  LDD0603  [17]
 LDCM0287  AC27 HCT 116 C115(1.25); C62(1.27)  LDD0604  [17]
 LDCM0288  AC28 HCT 116 C62(0.97); C115(1.03)  LDD0605  [17]
 LDCM0289  AC29 HCT 116 C115(1.26); C62(1.33)  LDD0606  [17]
 LDCM0290  AC3 HCT 116 C115(0.68); C62(0.94); C161(1.13)  LDD0607  [17]
 LDCM0291  AC30 HCT 116 C115(0.97); C62(1.02)  LDD0608  [17]
 LDCM0292  AC31 HCT 116 C115(1.20); C62(1.22)  LDD0609  [17]
 LDCM0293  AC32 HCT 116 C62(1.02); C115(1.06)  LDD0610  [17]
 LDCM0294  AC33 HCT 116 C115(1.09); C62(1.31)  LDD0611  [17]
 LDCM0295  AC34 HCT 116 C62(0.81); C115(1.09)  LDD0612  [17]
 LDCM0296  AC35 HCT 116 C161(1.24); C115(1.32); C62(1.58)  LDD0613  [17]
 LDCM0297  AC36 HCT 116 C161(1.23); C62(1.72); C115(2.06)  LDD0614  [17]
 LDCM0298  AC37 HCT 116 C115(1.35); C161(1.43); C62(1.46)  LDD0615  [17]
 LDCM0299  AC38 HCT 116 C161(1.18); C115(1.19); C62(1.31)  LDD0616  [17]
 LDCM0300  AC39 HCT 116 C115(0.87); C161(1.15); C62(1.29)  LDD0617  [17]
 LDCM0301  AC4 HCT 116 C115(0.82); C62(1.04); C161(1.08)  LDD0618  [17]
 LDCM0302  AC40 HCT 116 C115(0.74); C161(0.79); C62(0.93)  LDD0619  [17]
 LDCM0303  AC41 HCT 116 C161(0.93); C62(1.17); C115(1.48)  LDD0620  [17]
 LDCM0304  AC42 HCT 116 C115(0.97); C161(1.00); C62(1.08)  LDD0621  [17]
 LDCM0305  AC43 HCT 116 C161(1.17); C115(1.26); C62(1.35)  LDD0622  [17]
 LDCM0306  AC44 HCT 116 C161(0.89); C62(0.92); C115(1.03)  LDD0623  [17]
 LDCM0307  AC45 HCT 116 C161(0.66); C62(0.72); C115(0.78)  LDD0624  [17]
 LDCM0308  AC46 HCT 116 C115(1.03); C62(1.17); C161(1.40)  LDD0625  [17]
 LDCM0309  AC47 HCT 116 C115(0.87); C62(1.03); C161(1.61)  LDD0626  [17]
 LDCM0310  AC48 HCT 116 C115(0.91); C62(1.17); C161(1.99)  LDD0627  [17]
 LDCM0311  AC49 HCT 116 C62(0.65); C115(0.68); C161(1.73)  LDD0628  [17]
 LDCM0312  AC5 HCT 116 C115(0.76); C62(1.03); C161(1.24)  LDD0629  [17]
 LDCM0313  AC50 HCT 116 C62(0.58); C115(0.74); C161(1.41)  LDD0630  [17]
 LDCM0314  AC51 HCT 116 C115(1.19); C62(2.07); C161(3.75)  LDD0631  [17]
 LDCM0315  AC52 HCT 116 C115(1.12); C62(1.40); C161(2.17)  LDD0632  [17]
 LDCM0316  AC53 HCT 116 C62(0.80); C115(0.86); C161(1.84)  LDD0633  [17]
 LDCM0317  AC54 HCT 116 C115(0.91); C62(0.93); C161(1.79)  LDD0634  [17]
 LDCM0318  AC55 HCT 116 C115(0.60); C62(0.74); C161(2.03)  LDD0635  [17]
 LDCM0319  AC56 HCT 116 C115(0.38); C62(0.40); C161(0.88)  LDD0636  [17]
 LDCM0320  AC57 HCT 116 C115(1.56); C62(1.72); C161(2.69)  LDD0637  [17]
 LDCM0321  AC58 HCT 116 C62(1.46); C115(1.75); C161(2.58)  LDD0638  [17]
 LDCM0322  AC59 HCT 116 C62(0.94); C115(1.00); C161(1.48)  LDD0639  [17]
 LDCM0323  AC6 HCT 116 C161(0.93); C62(0.94); C115(0.94)  LDD0640  [17]
 LDCM0324  AC60 HCT 116 C115(1.72); C62(1.90); C161(3.29)  LDD0641  [17]
 LDCM0325  AC61 HCT 116 C62(2.26); C115(2.34); C161(3.56)  LDD0642  [17]
 LDCM0326  AC62 HCT 116 C62(0.85); C115(1.03); C161(1.17)  LDD0643  [17]
 LDCM0327  AC63 HCT 116 C115(1.64); C62(1.79); C161(2.86)  LDD0644  [17]
 LDCM0328  AC64 HCT 116 C115(0.88); C62(0.89); C161(1.38)  LDD0645  [17]
 LDCM0329  AC65 HCT 116 C115(1.15); C62(1.25); C161(1.71)  LDD0646  [17]
 LDCM0330  AC66 HCT 116 C115(1.36); C62(1.44); C161(1.86)  LDD0647  [17]
 LDCM0331  AC67 HCT 116 C115(0.39); C161(0.40); C62(0.43)  LDD0648  [17]
 LDCM0332  AC68 HCT 116 C161(0.89); C115(0.96); C62(1.10)  LDD0649  [17]
 LDCM0333  AC69 HCT 116 C115(0.98); C62(1.04); C161(1.27)  LDD0650  [17]
 LDCM0334  AC7 HCT 116 C115(0.82); C161(0.96); C62(1.04)  LDD0651  [17]
 LDCM0335  AC70 HCT 116 C62(0.67); C115(0.75); C161(0.79)  LDD0652  [17]
 LDCM0336  AC71 HCT 116 C115(1.24); C62(1.39); C161(1.68)  LDD0653  [17]
 LDCM0337  AC72 HCT 116 C115(0.84); C62(1.08); C161(1.37)  LDD0654  [17]
 LDCM0338  AC73 HCT 116 C161(0.39); C62(0.42); C115(0.55)  LDD0655  [17]
 LDCM0339  AC74 HCT 116 C161(0.46); C62(0.47); C115(0.55)  LDD0656  [17]
 LDCM0340  AC75 HCT 116 C115(0.49); C62(0.59); C161(0.91)  LDD0657  [17]
 LDCM0341  AC76 HCT 116 C161(0.57); C62(0.68); C115(0.82)  LDD0658  [17]
 LDCM0342  AC77 HCT 116 C115(0.85); C161(0.87); C62(0.91)  LDD0659  [17]
 LDCM0343  AC78 HCT 116 C115(1.12); C62(1.36); C161(1.51)  LDD0660  [17]
 LDCM0344  AC79 HCT 116 C115(1.05); C161(1.17); C62(1.23)  LDD0661  [17]
 LDCM0345  AC8 HCT 116 C62(0.85); C115(0.95); C161(1.16)  LDD0662  [17]
 LDCM0346  AC80 HCT 116 C115(0.82); C62(1.04); C161(1.92)  LDD0663  [17]
 LDCM0347  AC81 HCT 116 C62(0.74); C161(1.05); C115(1.13)  LDD0664  [17]
 LDCM0348  AC82 HCT 116 C62(0.43); C115(0.50); C161(0.52)  LDD0665  [17]
 LDCM0349  AC83 HCT 116 C161(0.56); C115(0.63); C62(0.69)  LDD0666  [17]
 LDCM0350  AC84 HCT 116 C62(0.63); C161(0.74); C115(0.79)  LDD0667  [17]
 LDCM0351  AC85 HCT 116 C115(0.93); C62(1.03); C161(1.21)  LDD0668  [17]
 LDCM0352  AC86 HCT 116 C62(0.93); C115(0.95); C161(1.05)  LDD0669  [17]
 LDCM0353  AC87 HCT 116 C115(0.89); C62(1.04); C161(1.20)  LDD0670  [17]
 LDCM0354  AC88 HCT 116 C62(0.77); C115(0.85); C161(1.01)  LDD0671  [17]
 LDCM0355  AC89 HCT 116 C62(0.73); C115(0.74); C161(0.83)  LDD0672  [17]
 LDCM0357  AC90 HCT 116 C115(0.88); C62(1.43); C161(2.47)  LDD0674  [17]
 LDCM0358  AC91 HCT 116 C161(0.52); C115(0.60); C62(0.77)  LDD0675  [17]
 LDCM0359  AC92 HCT 116 C161(0.33); C62(0.47); C115(0.51)  LDD0676  [17]
 LDCM0360  AC93 HCT 116 C115(0.87); C161(1.00); C62(1.15)  LDD0677  [17]
 LDCM0361  AC94 HCT 116 C115(1.19); C62(1.74); C161(1.80)  LDD0678  [17]
 LDCM0362  AC95 HCT 116 C115(0.97); C62(1.15); C161(1.32)  LDD0679  [17]
 LDCM0363  AC96 HCT 116 C161(0.88); C115(0.89); C62(0.91)  LDD0680  [17]
 LDCM0364  AC97 HCT 116 C161(0.81); C115(0.86); C62(0.88)  LDD0681  [17]
 LDCM0365  AC98 HCT 116 C115(0.30); C161(0.43); C62(0.45)  LDD0682  [17]
 LDCM0366  AC99 HCT 116 C62(0.68); C161(0.77); C115(0.98)  LDD0683  [17]
 LDCM0545  Acetamide MDA-MB-231 C161(0.91); C62(0.75); C52(0.52)  LDD2138  [7]
 LDCM0520  AKOS000195272 MDA-MB-231 C161(0.34); C62(0.81); C52(0.80)  LDD2113  [7]
 LDCM0248  AKOS034007472 HCT 116 C161(1.20); C62(1.16); C115(0.88)  LDD0565  [17]
 LDCM0356  AKOS034007680 HCT 116 C115(0.96); C62(1.13); C161(1.23)  LDD0673  [17]
 LDCM0275  AKOS034007705 HCT 116 C62(0.63); C115(0.63); C161(0.85)  LDD0592  [17]
 LDCM0156  Aniline NCI-H1299 12.64  LDD0403  [1]
 LDCM0020  ARS-1620 HCC44 C161(1.07); C115(1.02); C62(0.94)  LDD0078  [17]
 LDCM0498  BS-3668 MDA-MB-231 C62(1.04); C52(0.57)  LDD2091  [7]
 LDCM0630  CCW28-3 231MFP C62(1.40); C115(1.19)  LDD2214  [39]
 LDCM0108  Chloroacetamide HeLa C115(0.00); C161(0.00)  LDD0222  [33]
 LDCM0632  CL-Sc Hep-G2 C52(20.00); C52(0.84); C52(0.54)  LDD2227  [26]
 LDCM0367  CL1 HCT 116 C161(0.86); C115(0.87); C62(0.94)  LDD0684  [17]
 LDCM0368  CL10 HCT 116 C161(0.59); C115(0.71); C62(0.79)  LDD0685  [17]
 LDCM0369  CL100 HCT 116 C115(0.77); C62(1.26); C161(1.38)  LDD0686  [17]
 LDCM0370  CL101 HCT 116 C115(0.97); C62(1.02); C161(1.39)  LDD0687  [17]
 LDCM0371  CL102 HCT 116 C115(0.97); C62(0.98); C161(1.30)  LDD0688  [17]
 LDCM0372  CL103 HCT 116 C115(0.90); C62(1.00); C161(1.43)  LDD0689  [17]
 LDCM0373  CL104 HCT 116 C115(1.06); C62(1.07); C161(1.52)  LDD0690  [17]
 LDCM0374  CL105 HCT 116 C62(0.80); C115(0.90)  LDD0691  [17]
 LDCM0375  CL106 HCT 116 C62(0.51); C115(0.72)  LDD0692  [17]
 LDCM0376  CL107 HCT 116 C115(0.75); C62(0.76)  LDD0693  [17]
 LDCM0377  CL108 HCT 116 C62(0.38); C115(0.65)  LDD0694  [17]
 LDCM0378  CL109 HCT 116 C62(0.86); C115(0.94)  LDD0695  [17]
 LDCM0379  CL11 HCT 116 C161(0.38); C115(0.53); C62(0.65)  LDD0696  [17]
 LDCM0380  CL110 HCT 116 C62(0.59); C115(0.74)  LDD0697  [17]
 LDCM0381  CL111 HCT 116 C62(0.95); C115(1.01)  LDD0698  [17]
 LDCM0382  CL112 HCT 116 C62(1.04); C115(1.12)  LDD0699  [17]
 LDCM0383  CL113 HCT 116 C62(1.10); C115(1.31)  LDD0700  [17]
 LDCM0384  CL114 HCT 116 C115(1.29); C62(1.32)  LDD0701  [17]
 LDCM0385  CL115 HCT 116 C115(1.19); C62(1.25)  LDD0702  [17]
 LDCM0386  CL116 HCT 116 C115(1.08); C62(1.25)  LDD0703  [17]
 LDCM0387  CL117 HCT 116 C161(0.38); C62(0.46); C115(0.50)  LDD0704  [17]
 LDCM0388  CL118 HCT 116 C161(0.88); C62(1.12); C115(1.16)  LDD0705  [17]
 LDCM0389  CL119 HCT 116 C115(0.92); C161(0.93); C62(1.09)  LDD0706  [17]
 LDCM0390  CL12 HCT 116 C161(0.30); C62(0.33); C115(0.38)  LDD0707  [17]
 LDCM0391  CL120 HCT 116 C115(1.04); C161(1.04); C62(1.35)  LDD0708  [17]
 LDCM0392  CL121 HCT 116 C62(0.84); C115(1.12); C161(1.51)  LDD0709  [17]
 LDCM0393  CL122 HCT 116 C62(1.05); C115(1.13); C161(1.73)  LDD0710  [17]
 LDCM0394  CL123 HCT 116 C62(0.56); C115(0.68); C161(0.90)  LDD0711  [17]
 LDCM0395  CL124 HCT 116 C115(0.65); C62(0.70); C161(1.40)  LDD0712  [17]
 LDCM0396  CL125 HCT 116 C115(1.94); C62(1.94); C161(3.83)  LDD0713  [17]
 LDCM0397  CL126 HCT 116 C115(1.44); C62(1.83); C161(3.31)  LDD0714  [17]
 LDCM0398  CL127 HCT 116 C62(1.70); C115(2.04); C161(3.29)  LDD0715  [17]
 LDCM0399  CL128 HCT 116 C62(1.24); C115(1.25); C161(2.10)  LDD0716  [17]
 LDCM0400  CL13 HCT 116 C115(0.84); C62(0.93); C161(1.03)  LDD0717  [17]
 LDCM0401  CL14 HCT 116 C115(0.86); C62(0.96); C161(1.16)  LDD0718  [17]
 LDCM0402  CL15 HCT 116 C161(0.06); C115(0.34); C62(0.58)  LDD0719  [17]
 LDCM0403  CL16 HCT 116 C62(0.78); C161(0.92); C115(1.14)  LDD0720  [17]
 LDCM0404  CL17 HCT 116 C62(0.72); C161(1.02); C115(1.26)  LDD0721  [17]
 LDCM0405  CL18 HCT 116 C161(1.15); C62(1.20); C115(1.69)  LDD0722  [17]
 LDCM0406  CL19 HCT 116 C161(0.95); C62(1.12); C115(1.25)  LDD0723  [17]
 LDCM0407  CL2 HCT 116 C115(0.90); C62(1.04); C161(1.09)  LDD0724  [17]
 LDCM0408  CL20 HCT 116 C62(0.75); C161(0.76); C115(1.12)  LDD0725  [17]
 LDCM0409  CL21 HCT 116 C62(0.49); C161(0.60); C115(0.73)  LDD0726  [17]
 LDCM0410  CL22 HCT 116 C115(0.47); C62(0.61); C161(0.89)  LDD0727  [17]
 LDCM0411  CL23 HCT 116 C62(0.60); C161(0.81); C115(1.12)  LDD0728  [17]
 LDCM0412  CL24 HCT 116 C62(0.53); C161(0.66); C115(0.75)  LDD0729  [17]
 LDCM0413  CL25 HCT 116 C161(0.62); C62(0.65); C115(0.82)  LDD0730  [17]
 LDCM0414  CL26 HCT 116 C161(0.96); C62(0.62); C115(1.04)  LDD0731  [17]
 LDCM0415  CL27 HCT 116 C161(1.47); C62(0.80); C115(1.06)  LDD0732  [17]
 LDCM0416  CL28 HCT 116 C161(0.77); C62(0.77); C115(1.04)  LDD0733  [17]
 LDCM0417  CL29 HCT 116 C161(0.94); C62(0.79); C115(1.05)  LDD0734  [17]
 LDCM0418  CL3 HCT 116 C161(1.46); C62(1.04); C115(0.93)  LDD0735  [17]
 LDCM0419  CL30 HCT 116 C161(1.08); C62(1.17); C115(1.45)  LDD0736  [17]
 LDCM0420  CL31 HCT 116 C161(0.90); C62(1.02); C115(1.18)  LDD0737  [17]
 LDCM0421  CL32 HCT 116 C161(0.80); C62(1.06); C115(1.09)  LDD0738  [17]
 LDCM0422  CL33 HCT 116 C161(0.74); C62(0.73); C115(1.02)  LDD0739  [17]
 LDCM0423  CL34 HCT 116 C161(0.42); C62(0.72); C115(0.78)  LDD0740  [17]
 LDCM0424  CL35 HCT 116 C161(0.59); C62(0.70); C115(0.82)  LDD0741  [17]
 LDCM0425  CL36 HCT 116 C161(0.51); C62(0.75); C115(0.98)  LDD0742  [17]
 LDCM0426  CL37 HCT 116 C161(0.55); C62(0.42); C115(0.67)  LDD0743  [17]
 LDCM0428  CL39 HCT 116 C161(0.57); C62(0.64); C115(0.83)  LDD0745  [17]
 LDCM0429  CL4 HCT 116 C161(1.23); C62(0.95); C115(0.97)  LDD0746  [17]
 LDCM0430  CL40 HCT 116 C161(0.57); C62(0.64); C115(1.21)  LDD0747  [17]
 LDCM0431  CL41 HCT 116 C161(0.79); C62(0.91); C115(0.97)  LDD0748  [17]
 LDCM0432  CL42 HCT 116 C161(0.51); C62(0.58); C115(0.16)  LDD0749  [17]
 LDCM0433  CL43 HCT 116 C161(0.37); C62(0.52); C115(0.54)  LDD0750  [17]
 LDCM0434  CL44 HCT 116 C161(0.69); C62(0.87); C115(1.03)  LDD0751  [17]
 LDCM0435  CL45 HCT 116 C161(0.56); C62(0.79); C115(0.99)  LDD0752  [17]
 LDCM0436  CL46 HCT 116 C161(0.98); C62(1.04); C115(1.07)  LDD0753  [17]
 LDCM0437  CL47 HCT 116 C161(0.87); C62(0.91); C115(1.02)  LDD0754  [17]
 LDCM0438  CL48 HCT 116 C161(1.17); C62(1.17); C115(1.31)  LDD0755  [17]
 LDCM0439  CL49 HCT 116 C161(1.16); C62(0.96); C115(1.30)  LDD0756  [17]
 LDCM0440  CL5 HCT 116 C161(1.03); C62(0.99); C115(0.94)  LDD0757  [17]
 LDCM0441  CL50 HCT 116 C161(1.06); C62(1.07); C115(1.09)  LDD0758  [17]
 LDCM0442  CL51 HCT 116 C161(1.12); C62(1.01); C115(0.99)  LDD0759  [17]
 LDCM0443  CL52 HCT 116 C161(1.06); C62(0.96); C115(0.97)  LDD0760  [17]
 LDCM0444  CL53 HCT 116 C161(1.00); C62(1.11); C115(1.26)  LDD0761  [17]
 LDCM0445  CL54 HCT 116 C161(1.19); C62(1.03); C115(1.09)  LDD0762  [17]
 LDCM0446  CL55 HCT 116 C161(1.31); C62(1.14); C115(1.22)  LDD0763  [17]
 LDCM0447  CL56 HCT 116 C161(0.96); C62(1.02); C115(1.01)  LDD0764  [17]
 LDCM0448  CL57 HCT 116 C161(1.03); C62(1.15); C115(1.14)  LDD0765  [17]
 LDCM0449  CL58 HCT 116 C161(1.22); C62(1.17); C115(1.21)  LDD0766  [17]
 LDCM0450  CL59 HCT 116 C161(1.21); C62(1.19); C115(1.02)  LDD0767  [17]
 LDCM0451  CL6 HCT 116 C161(1.15); C62(1.21); C115(1.04)  LDD0768  [17]
 LDCM0452  CL60 HCT 116 C161(1.00); C62(1.06); C115(1.08)  LDD0769  [17]
 LDCM0453  CL61 HCT 116 C161(1.21); C62(2.05); C115(1.03)  LDD0770  [17]
 LDCM0454  CL62 HCT 116 C161(0.30); C62(1.67); C115(0.87)  LDD0771  [17]
 LDCM0455  CL63 HCT 116 C161(0.76); C62(2.13); C115(0.94)  LDD0772  [17]
 LDCM0456  CL64 HCT 116 C161(0.65); C62(2.64); C115(0.94)  LDD0773  [17]
 LDCM0457  CL65 HCT 116 C161(0.68); C62(2.11); C115(0.97)  LDD0774  [17]
 LDCM0458  CL66 HCT 116 C161(1.19); C62(1.95); C115(0.69)  LDD0775  [17]
 LDCM0459  CL67 HCT 116 C161(0.80); C62(2.76); C115(0.99)  LDD0776  [17]
 LDCM0460  CL68 HCT 116 C161(1.21); C62(2.12); C115(1.09)  LDD0777  [17]
 LDCM0461  CL69 HCT 116 C161(1.04); C62(2.20); C115(1.07)  LDD0778  [17]
 LDCM0462  CL7 HCT 116 C161(0.62); C62(0.90); C115(0.68)  LDD0779  [17]
 LDCM0463  CL70 HCT 116 C161(1.05); C62(2.72); C115(1.16)  LDD0780  [17]
 LDCM0464  CL71 HCT 116 C161(0.87); C62(1.78); C115(0.88)  LDD0781  [17]
 LDCM0465  CL72 HCT 116 C161(1.05); C62(1.61); C115(1.01)  LDD0782  [17]
 LDCM0466  CL73 HCT 116 C161(0.67); C62(1.84); C115(1.00)  LDD0783  [17]
 LDCM0467  CL74 HCT 116 C161(0.76); C62(2.47); C115(1.01)  LDD0784  [17]
 LDCM0469  CL76 HCT 116 C161(1.35); C62(1.02); C115(0.98)  LDD0786  [17]
 LDCM0470  CL77 HCT 116 C161(0.75); C62(0.55); C115(0.80)  LDD0787  [17]
 LDCM0471  CL78 HCT 116 C161(1.15); C62(1.13); C115(0.92)  LDD0788  [17]
 LDCM0472  CL79 HCT 116 C161(0.61); C62(0.59); C115(0.73)  LDD0789  [17]
 LDCM0473  CL8 HCT 116 C161(0.25); C62(0.40); C115(0.41)  LDD0790  [17]
 LDCM0474  CL80 HCT 116 C161(1.40); C62(1.28); C115(1.17)  LDD0791  [17]
 LDCM0475  CL81 HCT 116 C161(1.17); C62(1.04); C115(0.93)  LDD0792  [17]
 LDCM0476  CL82 HCT 116 C161(0.53); C62(0.55); C115(0.64)  LDD0793  [17]
 LDCM0477  CL83 HCT 116 C161(0.68); C62(0.46); C115(0.66)  LDD0794  [17]
 LDCM0478  CL84 HCT 116 C161(0.30); C62(0.34); C115(0.37)  LDD0795  [17]
 LDCM0479  CL85 HCT 116 C161(1.02); C62(1.14); C115(0.95)  LDD0796  [17]
 LDCM0480  CL86 HCT 116 C161(3.73); C62(2.59); C115(1.33)  LDD0797  [17]
 LDCM0481  CL87 HCT 116 C161(1.20); C62(10.54); C115(1.13)  LDD0798  [17]
 LDCM0482  CL88 HCT 116 C161(0.62); C62(0.60); C115(0.67)  LDD0799  [17]
 LDCM0483  CL89 HCT 116 C161(0.62); C62(0.38); C115(0.39)  LDD0800  [17]
 LDCM0484  CL9 HCT 116 C161(0.90); C62(0.92); C115(0.85)  LDD0801  [17]
 LDCM0485  CL90 HCT 116 C161(0.97); C62(0.69); C115(0.55)  LDD0802  [17]
 LDCM0486  CL91 HCT 116 C161(0.65); C62(1.20); C115(0.61)  LDD0803  [17]
 LDCM0487  CL92 HCT 116 C161(1.06); C62(1.12); C115(0.90)  LDD0804  [17]
 LDCM0488  CL93 HCT 116 C161(1.47); C62(1.13); C115(0.96)  LDD0805  [17]
 LDCM0489  CL94 HCT 116 C161(1.12); C62(1.20); C115(1.03)  LDD0806  [17]
 LDCM0490  CL95 HCT 116 C161(1.18); C62(1.11); C115(0.98)  LDD0807  [17]
 LDCM0491  CL96 HCT 116 C161(1.13); C62(1.18); C115(0.96)  LDD0808  [17]
 LDCM0492  CL97 HCT 116 C161(1.28); C62(1.04); C115(0.95)  LDD0809  [17]
 LDCM0493  CL98 HCT 116 C161(1.27); C62(1.10); C115(0.84)  LDD0810  [17]
 LDCM0494  CL99 HCT 116 C161(1.29); C62(1.09); C115(0.83)  LDD0811  [17]
 LDCM0495  E2913 HEK-293T C161(0.93); C115(1.00); C62(0.99)  LDD1698  [40]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C52(0.99); C161(0.95)  LDD1702  [7]
 LDCM0031  Epigallocatechin gallate HEK-293T 4.01  LDD0183  [12]
 LDCM0625  F8 Ramos C161(0.64); C62(0.72); C52(2.79); C115(0.98)  LDD2187  [41]
 LDCM0572  Fragment10 Ramos C161(0.50); C62(0.61); C52(0.64); C115(0.59)  LDD2189  [41]
 LDCM0573  Fragment11 Ramos C161(0.04); C62(0.45); C52(0.08); C115(0.01)  LDD2190  [41]
 LDCM0574  Fragment12 Ramos C161(0.56); C62(0.65); C52(0.23); C115(0.57)  LDD2191  [41]
 LDCM0575  Fragment13 Ramos C161(1.29); C62(1.25); C52(0.37); C115(0.96)  LDD2192  [41]
 LDCM0576  Fragment14 Ramos C161(0.72); C62(0.69); C52(0.19); C115(0.64)  LDD2193  [41]
 LDCM0579  Fragment20 Ramos C161(0.46); C62(0.55); C52(0.15); C115(0.45)  LDD2194  [41]
 LDCM0580  Fragment21 Ramos C161(0.94); C62(0.99); C52(0.48); C115(1.33)  LDD2195  [41]
 LDCM0582  Fragment23 Ramos C161(1.11); C62(1.30); C52(1.10); C115(1.41)  LDD2196  [41]
 LDCM0578  Fragment27 Ramos C161(0.94); C62(1.17); C52(0.88); C115(0.95)  LDD2197  [41]
 LDCM0586  Fragment28 Ramos C161(1.15); C62(0.87); C52(0.67); C115(0.64)  LDD2198  [41]
 LDCM0588  Fragment30 Ramos C161(1.19); C62(1.42); C52(0.65); C115(0.91)  LDD2199  [41]
 LDCM0589  Fragment31 Ramos C161(1.21); C62(1.74); C52(0.57); C115(1.41)  LDD2200  [41]
 LDCM0590  Fragment32 Ramos C161(0.50); C62(0.56); C52(0.44); C115(0.50)  LDD2201  [41]
 LDCM0468  Fragment33 HCT 116 C161(0.49); C62(2.85); C115(1.02)  LDD0785  [17]
 LDCM0596  Fragment38 Ramos C161(1.40); C62(1.10); C52(0.42); C115(0.95)  LDD2203  [41]
 LDCM0566  Fragment4 Ramos C161(0.70); C62(0.84); C52(0.49); C115(0.79)  LDD2184  [41]
 LDCM0427  Fragment51 HCT 116 C161(0.13); C62(0.36); C115(0.26)  LDD0744  [17]
 LDCM0610  Fragment52 Ramos C161(2.47); C62(1.46); C52(0.46); C115(1.17)  LDD2204  [41]
 LDCM0614  Fragment56 Ramos C161(1.78); C62(1.39); C52(0.54); C115(1.26)  LDD2205  [41]
 LDCM0569  Fragment7 Ramos C161(0.54); C62(0.60); C52(0.18); C115(0.69)  LDD2186  [41]
 LDCM0571  Fragment9 Ramos C161(0.50); C62(0.56); C52(0.19); C115(0.42)  LDD2188  [41]
 LDCM0116  HHS-0101 DM93 Y48(0.87); Y79(0.91)  LDD0264  [15]
 LDCM0117  HHS-0201 DM93 Y48(0.79); Y79(1.05)  LDD0265  [15]
 LDCM0118  HHS-0301 DM93 Y48(0.82); Y79(0.85)  LDD0266  [15]
 LDCM0119  HHS-0401 DM93 Y48(0.87); Y79(1.40)  LDD0267  [15]
 LDCM0120  HHS-0701 DM93 Y48(0.81); Y79(1.04)  LDD0268  [15]
 LDCM0107  IAA HeLa C115(0.00); C161(0.00)  LDD0221  [33]
 LDCM0123  JWB131 DM93 Y48(1.18); Y79(1.07)  LDD0285  [14]
 LDCM0124  JWB142 DM93 Y48(1.19); Y79(0.69)  LDD0286  [14]
 LDCM0125  JWB146 DM93 Y48(0.93); Y79(1.01)  LDD0287  [14]
 LDCM0126  JWB150 DM93 Y48(5.34); Y79(3.54)  LDD0288  [14]
 LDCM0127  JWB152 DM93 Y48(2.82); Y79(2.07)  LDD0289  [14]
 LDCM0128  JWB198 DM93 Y48(1.98); Y79(1.40)  LDD0290  [14]
 LDCM0129  JWB202 DM93 Y48(1.91); Y79(1.01)  LDD0291  [14]
 LDCM0130  JWB211 DM93 Y48(1.13); Y79(0.92)  LDD0292  [14]
 LDCM0179  JZ128 PC-3 N.A.  LDD0462  [11]
 LDCM0022  KB02 HCT 116 C62(2.01); C115(1.36)  LDD0080  [17]
 LDCM0023  KB03 HCT 116 C62(2.31); C115(1.63)  LDD0081  [17]
 LDCM0024  KB05 HCT 116 C62(1.93); C115(1.64)  LDD0082  [17]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C161(1.04); C62(1.05); C52(1.11)  LDD2102  [7]
 LDCM0528  N-(4-bromophenyl)-2-cyano-N-phenylacetamide MDA-MB-231 C161(1.23); C62(1.09); C52(0.74)  LDD2121  [7]
 LDCM0109  NEM HeLa H92(0.00); C161(0.00)  LDD0223  [33]
 LDCM0496  Nucleophilic fragment 11a MDA-MB-231 C62(1.03); C52(0.73)  LDD2089  [7]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C161(1.10); C52(1.55)  LDD2090  [7]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C115(2.05); C62(1.47); C52(1.00)  LDD2092  [7]
 LDCM0500  Nucleophilic fragment 13a MDA-MB-231 C161(1.17); C62(1.27); C52(1.60)  LDD2093  [7]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C115(4.47); C161(1.22); C62(2.00); C52(1.70)  LDD2094  [7]
 LDCM0503  Nucleophilic fragment 14b MDA-MB-231 C115(0.08); C161(0.09); C62(1.09); C52(0.36)  LDD2096  [7]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C161(0.38); C52(0.91)  LDD2097  [7]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C115(1.89); C161(1.27); C62(1.22); C52(0.73)  LDD2098  [7]
 LDCM0506  Nucleophilic fragment 16a MDA-MB-231 C115(1.43); C161(0.98); C62(1.06); C52(1.24)  LDD2099  [7]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C161(0.19); C62(0.50); C52(0.30)  LDD2100  [7]
 LDCM0508  Nucleophilic fragment 17a MDA-MB-231 C161(0.49); C62(1.24)  LDD2101  [7]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C62(0.43); C52(0.42)  LDD2104  [7]
 LDCM0512  Nucleophilic fragment 19a MDA-MB-231 C62(1.54); C52(1.88)  LDD2105  [7]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C161(0.18); C62(0.34)  LDD2106  [7]
 LDCM0514  Nucleophilic fragment 20a MDA-MB-231 C115(1.39); C161(0.55); C62(0.98); C52(0.93)  LDD2107  [7]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C161(0.23); C62(0.45); C52(1.00)  LDD2108  [7]
 LDCM0516  Nucleophilic fragment 21a MDA-MB-231 C115(0.60); C161(0.59); C62(0.68); C52(0.94)  LDD2109  [7]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C161(0.34); C62(0.37)  LDD2110  [7]
 LDCM0518  Nucleophilic fragment 22a MDA-MB-231 C161(1.07); C62(1.21); C52(1.18)  LDD2111  [7]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C161(0.27); C62(0.42); C52(0.54)  LDD2114  [7]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C161(0.25); C62(0.56)  LDD2115  [7]
 LDCM0523  Nucleophilic fragment 24b MDA-MB-231 C115(0.23); C161(0.23); C62(2.34); C52(0.45)  LDD2116  [7]
 LDCM0525  Nucleophilic fragment 25b MDA-MB-231 C115(0.23); C161(0.21); C62(1.87); C52(0.42)  LDD2118  [7]
 LDCM0526  Nucleophilic fragment 26a MDA-MB-231 C161(1.35); C62(1.72); C52(1.96)  LDD2119  [7]
 LDCM0527  Nucleophilic fragment 26b MDA-MB-231 C115(0.85); C161(0.86); C62(0.73); C52(0.47)  LDD2120  [7]
 LDCM0529  Nucleophilic fragment 27b MDA-MB-231 C115(0.14); C161(0.15); C62(2.29); C52(0.63)  LDD2122  [7]
 LDCM0530  Nucleophilic fragment 28a MDA-MB-231 C115(1.08); C161(0.76); C62(1.02); C52(1.16)  LDD2123  [7]
 LDCM0531  Nucleophilic fragment 28b MDA-MB-231 C161(0.15); C62(2.38); C52(0.44)  LDD2124  [7]
 LDCM0532  Nucleophilic fragment 29a MDA-MB-231 C115(1.03); C161(0.90); C62(0.98); C52(1.14)  LDD2125  [7]
 LDCM0533  Nucleophilic fragment 29b MDA-MB-231 C115(0.12); C161(0.21); C62(2.01); C52(0.39)  LDD2126  [7]
 LDCM0534  Nucleophilic fragment 30a MDA-MB-231 C161(1.20); C62(1.18); C52(1.20)  LDD2127  [7]
 LDCM0535  Nucleophilic fragment 30b MDA-MB-231 C115(0.74); C161(0.45); C62(0.59); C52(0.44)  LDD2128  [7]
 LDCM0536  Nucleophilic fragment 31 MDA-MB-231 C161(0.95); C62(1.51); C52(1.29)  LDD2129  [7]
 LDCM0540  Nucleophilic fragment 35 MDA-MB-231 C161(0.69); C62(0.61); C52(0.69)  LDD2133  [7]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C161(0.40); C62(0.48); C52(0.56)  LDD2134  [7]
 LDCM0542  Nucleophilic fragment 37 MDA-MB-231 C161(1.04); C62(1.84); C52(1.44)  LDD2135  [7]
 LDCM0543  Nucleophilic fragment 38 MDA-MB-231 C161(1.00); C62(1.29); C52(1.29)  LDD2136  [7]
 LDCM0544  Nucleophilic fragment 39 MDA-MB-231 C115(1.01); C161(0.70); C62(1.00); C52(1.07)  LDD2137  [7]
 LDCM0211  Nucleophilic fragment 3b MDA-MB-231 C161(3.08); C52(2.55); C62(1.99)  LDD1700  [7]
 LDCM0546  Nucleophilic fragment 40 MDA-MB-231 C161(1.06); C62(0.84); C52(1.06)  LDD2140  [7]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C161(0.60); C62(0.88); C52(0.55)  LDD2141  [7]
 LDCM0549  Nucleophilic fragment 43 MDA-MB-231 C115(0.64); C161(0.56); C62(0.79); C52(0.49)  LDD2143  [7]
 LDCM0550  Nucleophilic fragment 5a MDA-MB-231 C161(1.07); C62(1.84); C52(2.15)  LDD2144  [7]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C161(0.24); C62(0.30); C52(1.22)  LDD2145  [7]
 LDCM0552  Nucleophilic fragment 6a MDA-MB-231 C62(0.95); C52(1.15)  LDD2146  [7]
 LDCM0553  Nucleophilic fragment 6b MDA-MB-231 C161(1.27); C62(0.93); C52(0.85)  LDD2147  [7]
 LDCM0554  Nucleophilic fragment 7a MDA-MB-231 C161(0.96)  LDD2148  [7]
 LDCM0555  Nucleophilic fragment 7b MDA-MB-231 C115(0.14); C161(0.16); C62(4.32); C52(0.44)  LDD2149  [7]
 LDCM0556  Nucleophilic fragment 8a MDA-MB-231 C115(0.62); C62(0.70); C52(0.51)  LDD2150  [7]
 LDCM0557  Nucleophilic fragment 8b MDA-MB-231 C115(1.03); C161(0.14); C62(1.73); C52(0.44)  LDD2151  [7]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C115(2.34); C62(2.15)  LDD2153  [7]
 LDCM0627  NUDT7-COV-1 HEK-293T C52(1.20)  LDD2206  [42]
 LDCM0628  OTUB2-COV-1 HEK-293T C52(1.57); C52(0.26)  LDD2207  [42]
 LDCM0131  RA190 MM1.R C161(1.32)  LDD0304  [43]
 LDCM0021  THZ1 HeLa S3 C62(1.05); C161(1.02)  LDD0460  [11]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme
Click To Hide/Show 5 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Bile acid-CoA:amino acid N-acyltransferase (BAAT) C/M/P thioester hydrolase family Q14032
Thiol S-methyltransferase TMT1A (TMT1A) Methyltransferase superfamily Q9H8H3
Cyclin-dependent kinase 5 (CDK5) CMGC Ser/Thr protein kinase family Q00535
Receptor-type tyrosine-protein phosphatase-like N (PTPRN) Protein-tyrosine phosphatase family Q16849
E3 ubiquitin-protein ligase LNX (LNX1) . Q8TBB1
Transporter and channel
Click To Hide/Show 2 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Amyloid-beta precursor protein (APP) APP family P05067
Stromal interaction molecule 1 (STIM1) . Q13586
Transcription factor
Click To Hide/Show 6 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Zinc finger and SCAN domain-containing protein 9 (ZSCAN9) Krueppel C2H2-type zinc-finger protein family O15535
Zinc finger protein with KRAB and SCAN domains 8 (ZKSCAN8) Krueppel C2H2-type zinc-finger protein family Q15776
Nuclear receptor corepressor 1 (NCOR1) N-CoR nuclear receptor corepressors family O75376
DNA-binding protein inhibitor ID-2 (ID2) . Q02363
Transcription factor 4 (TCF4) . P15884
Transcription factor SOX-10 (SOX10) . P56693
GPCR
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Orexin receptor type 2 (HCRTR2) G-protein coupled receptor 1 family O43614
Immunoglobulin
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Basigin (BSG) . P35613
Other
Click To Hide/Show 10 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
Centrosomal protein of 76 kDa (CEP76) CEP76 family Q8TAP6
Protein pelota homolog (PELO) Eukaryotic release factor 1 family Q9BRX2
SNW domain-containing protein 1 (SNW1) SNW family Q13573
Transcription elongation factor SPT5 (SUPT5H) SPT5 family O00267
tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6 (TRMT6) TRM6/GCD10 family Q9UJA5
Small ribosomal subunit protein uS19 (RPS15) Universal ribosomal protein uS19 family P62841
UPF0547 protein C16orf87 (C16orf87) UPF0547 family Q6PH81
BTB/POZ domain-containing protein KCTD17 (KCTD17) . Q8N5Z5
Heterogeneous nuclear ribonucleoprotein F (HNRNPF) . P52597
Vitamin K-dependent protein S (PROS1) . P07225

The Drug(s) Related To This Target

Approved
Click To Hide/Show 4 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Cyclosporine Protein/peptide DB00091
L-proline Small molecular drug D0DZ3X
Artenimol . DB11638
Copper . DB09130
Investigative
Click To Hide/Show 8 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
(3r)-1-acetyl-3-methylpiperidine Small molecular drug D0DQ4D
1-(3-benzyloxy-pyridin-2-yl)-3-phenyl-urea Small molecular drug D0P6TX
3-[3-(3-benzyloxy-pyridin-2-yl)-ureido]-benzamide Small molecular drug D07IQR
4-[3-(3-benzyloxy-pyridin-2-yl)-ureido]-benzamide Small molecular drug D0X5JR
7-amino-4-methyl-chromen-2-one Small molecular drug D0L5XK
Ethyl Oxo(Piperidin-1-yl)Acetate Small molecular drug D0P8IK
Proline Small molecular drug DB00172
Sanglifehrin A . DB03393

References

1 Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
2 Comparison of Different Competitive Proteome Profiling Approaches in Target Identification of Covalent Inhibitors. Chembiochem. 2022 Dec 16;23(24):e202200389. doi: 10.1002/cbic.202200389. Epub 2022 Nov 22.
3 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J Am Chem Soc. 2023 Feb 12. doi: 10.1021/jacs.2c11595. Online ahead of print.
Mass spectrometry data entry: PXD037665
4 Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
5 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
6 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
7 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
8 2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
9 A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10.
Mass spectrometry data entry: PXD028270
10 A chemical proteomics approach for global mapping of functional lysines on cell surface of living cell. Nat Commun. 2024 Apr 8;15(1):2997. doi: 10.1038/s41467-024-47033-w.
Mass spectrometry data entry: PXD042888
11 A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
12 A chemical probe unravels the reactive proteome of health-associated catechols. Chem Sci. 2023 Jul 22;14(32):8635-8643. doi: 10.1039/d3sc00888f. eCollection 2023 Aug 16.
Mass spectrometry data entry: PXD043348
13 Chemoproteomic capture of RNA binding activity in living cells. Nat Commun. 2023 Oct 7;14(1):6282. doi: 10.1038/s41467-023-41844-z.
Mass spectrometry data entry: PXD044625
14 Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
15 Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
16 Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
17 Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
18 Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling. Nat Chem. 2024 Jun 4. doi: 10.1038/s41557-024-01545-6. Online ahead of print.
Mass spectrometry data entry: PXD042377
19 Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
20 Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23.
Mass spectrometry data entry: PXD028853
21 SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome*. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18.
Mass spectrometry data entry: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
22 SP3-Enabled Rapid and High Coverage Chemoproteomic Identification of Cell-State-Dependent Redox-Sensitive Cysteines. Mol Cell Proteomics. 2022 Apr;21(4):100218. doi: 10.1016/j.mcpro.2022.100218. Epub 2022 Feb 25.
Mass spectrometry data entry: PXD029500 , PXD031647
23 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
24 Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22.
Mass spectrometry data entry: PXD006095 , PXD006096
25 Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24.
Mass spectrometry data entry: PXD029255
26 N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w.
Mass spectrometry data entry: PXD041264
27 Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
28 Multiplexed CuAAC Suzuki-Miyaura Labeling for Tandem Activity-Based Chemoproteomic Profiling. Anal Chem. 2021 Feb 2;93(4):2610-2618. doi: 10.1021/acs.analchem.0c04726. Epub 2021 Jan 20.
Mass spectrometry data entry: PXD022279
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Mass spectrometry data entry: PXD039931
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Mass spectrometry data entry: PXD033004
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Mass spectrometry data entry: PXD001377 , PXD005252
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Mass spectrometry data entry: PXD044402
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Mass spectrometry data entry: PXD027578
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